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Compound Detail

CHEMBL4294712

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CC(C)=CCN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4294712
Phase Preclinical
Structure Type MOL
InChI Key DUBUMHULHFIOPF-RELWKKBWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

367.8
MW (Da)
3.79
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18ClN3O2
MW 367.84
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.06

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30170940 10.1016/j.bmcl.2018.08.025 Urease 1
30170940 10.1016/j.bmcl.2018.08.025 Helicobacter pylori 1
30170940 10.1016/j.bmcl.2018.08.025 L02 1
30170940 10.1016/j.bmcl.2018.08.025 HEK-293T 1

Data from ChEMBL 36 via Core Engine